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  1. Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys

    Article • November 2023, ACM (Association for Computing Machinery)

    Phani Motamarri, Gourab Panigrahi

  2. Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures

    Article • The Journal of Chemical Physics, July 2023, American Institute of Physics

    Phani Motamarri